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Titanium and its alloys are technologically important materials that display a rich phase behaviour. In order to enable large-scale, realistic modelling of Ti and its alloys on the atomistic scale, Machine Learning Interatomic Potentials…

Materials Science · Physics 2025-01-13 Connor S. Allen , Albert P. Bartók

Foundational machine learning interatomic potentials (MLIPs) are being developed at a rapid pace, promising closer and closer approximation to ab initio accuracy. This unlocks the possibility to simulate much larger length and time scales.…

Materials Science · Physics 2026-05-27 Luuk H. E. Kempen , Raffaele Cheula , Mie Andersen

To address the trade-off problem of quality-diversity for the generated images in imbalanced classification tasks, we research on over-sampling based methods at the feature level instead of the data level and focus on searching the latent…

Computer Vision and Pattern Recognition · Computer Science 2022-07-27 Yudi Zhao , Kuangrong Hao , Chaochen Gu , Bing Wei

Diffusion models are widely used for generative tasks across domains. Given a pre-trained diffusion model, it is often desirable to fine-tune it further either to correct for errors in learning or to align with downstream applications.…

Machine-learned interatomic potentials (MLIPs) are becoming an essential tool in materials modeling. However, optimizing the generation of training data used to parameterize the MLIPs remains a significant challenge. This is because MLIPs…

The probabilistic diffusion model (DM), generating content by inferencing through a recursive chain structure, has emerged as a powerful framework for visual generation. After pre-training on enormous data, the model needs to be properly…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Tao Ren , Zishi Zhang , Jingyang Jiang , Zehao Li , Shentao Qin , Yi Zheng , Guanghao Li , Qianyou Sun , Yan Li , Jiafeng Liang , Xinping Li , Yijie Peng

Conventional multi-label classification (MLC) methods assume that all samples are fully labeled and identically distributed. Unfortunately, this assumption is unrealistic in large-scale MLC data that has long-tailed (LT) distribution and…

Machine Learning · Computer Science 2023-04-24 Wenqiao Zhang , Changshuo Liu , Lingze Zeng , Beng Chin Ooi , Siliang Tang , Yueting Zhuang

Many machine learning models appear to deploy effortlessly under distribution shift, and perform well on a target distribution that is considerably different from the training distribution. Yet, learning theory of distribution shift bounds…

Machine Learning · Computer Science 2024-05-30 Robi Bhattacharjee , Nick Rittler , Kamalika Chaudhuri

Subpopulation shift exists widely in many real-world applications, which refers to the training and test distributions that contain the same subpopulation groups but with different subpopulation proportions. Ignoring subpopulation shifts…

Machine Learning · Computer Science 2023-04-11 Zongbo Han , Zhipeng Liang , Fan Yang , Liu Liu , Lanqing Li , Yatao Bian , Peilin Zhao , Qinghua Hu , Bingzhe Wu , Changqing Zhang , Jianhua Yao

We study multilabel classification of chest X-rays and present a simple, strong pipeline built on SE-ResNeXt101 $(32 \times 4d)$. The backbone is finetuned for 14 thoracic findings with a sigmoid head, trained using Multilabel Iterative…

Computer Vision and Pattern Recognition · Computer Science 2025-11-12 Utkarsh Prakash Srivastava , Kaushik Gupta , Kaushik Nath

Multi-Task Learning (MTL) aims to boost predictive performance by sharing information across related tasks, yet conventional methods often suffer from negative transfer when unrelated or noisy tasks are forced to share representations. We…

Machine Learning · Computer Science 2026-02-17 Seyedsaman Emami , Daniel Hernández-Lobato , Gonzalo Martínez-Muñoz

Imitation learning (IL) enables autonomous behavior by learning from expert demonstrations. While more sample-efficient than comparative alternatives like reinforcement learning, IL is sensitive to compounding errors induced by distribution…

Systems and Control · Electrical Eng. & Systems 2025-12-22 Aditya Gahlawat , Ahmed Aboudonia , Sandeep Banik , Naira Hovakimyan , Nikolai Matni , Aaron D. Ames , Gioele Zardini , Alberto Speranzon

Industrial surface defect inspection for sample-wise quality control (QC) must simultaneously decide whether a given sample contains defects and localize those defects spatially. In real production lines, extreme foreground-background…

Computer Vision and Pattern Recognition · Computer Science 2025-10-16 Hang-Cheng Dong , Yibo Jiao , Fupeng Wei , Guodong Liu , Dong Ye , Bingguo Liu

Multimodal Large Language Model (MLLM) have demonstrated strong generalization capabilities across diverse distributions and tasks, largely due to extensive pre-training datasets. Fine-tuning MLLM has become a common practice to improve…

Computation and Language · Computer Science 2024-11-19 Wenke Huang , Jian Liang , Zekun Shi , Didi Zhu , Guancheng Wan , He Li , Bo Du , Dacheng Tao , Mang Ye

Integrating machine learning into reactive chemistry, materials discovery, and drug design is revolutionizing the development of novel molecules and materials. Machine Learning Interatomic Potentials (MLIPs) accurately predict energies and…

Chemical Physics · Physics 2025-07-04 Austin Rodriguez , Justin S. Smith , Jose L. Mendoza-Cortes

Preference alignment methods are increasingly critical for steering large language models (LLMs) to generate outputs consistent with human values. While recent approaches often rely on synthetic data generated by LLMs for scalability and…

Computation and Language · Computer Science 2025-10-21 Mingye Zhu , Yi Liu , Zheren Fu , Yongdong Zhang , Zhendong Mao

Effective resource management plays a pivotal role in wireless networks, which, unfortunately, results in challenging mixed-integer nonlinear programming (MINLP) problems in most cases. Machine learning-based methods have recently emerged…

Signal Processing · Electrical Eng. & Systems 2019-05-17 Yifei Shen , Yuanming Shi , Jun Zhang , Khaled B. Letaief

Multi-task learning (MTL) for dense prediction has shown promising results but still faces challenges in balancing shared representations with task-specific specialization. In this paper, we introduce a novel Fine-Grained Mixture of Experts…

Computer Vision and Pattern Recognition · Computer Science 2025-07-28 Yangyang Xu , Xi Ye , Duo Su

We improve the recently-proposed "MixMatch" semi-supervised learning algorithm by introducing two new techniques: distribution alignment and augmentation anchoring. Distribution alignment encourages the marginal distribution of predictions…

Machine Learning · Computer Science 2020-02-17 David Berthelot , Nicholas Carlini , Ekin D. Cubuk , Alex Kurakin , Kihyuk Sohn , Han Zhang , Colin Raffel

The visual models pretrained on large-scale benchmarks encode general knowledge and prove effective in building more powerful representations for downstream tasks. Most existing approaches follow the fine-tuning paradigm, either by…

Computer Vision and Pattern Recognition · Computer Science 2023-08-24 Nan Zhou , Jiaxin Chen , Di Huang